0 mol 37 unq 0 iso 0 dist 7.27697 6.64597 6.84337 14.1843 11.5334 8.82649 numMergedOcc 0
1 mol 46 unq 0 iso 0 dist 8.5377 6.20913 6.61977 13.2194 8.76497 9.57238 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 5.39827 6.35361 7.46994 5.97418 9.89377 9.46217 numMergedOcc 0
3 mol 87 unq 0 iso 0 dist 7.14461 7.55769 8.31175 5.92576 6.57984 7.2668 numMergedOcc 0
4 mol 105 unq 0 iso 0 dist 8.60172 6.21149 5.03173 13.8047 8.65154 9.3724 numMergedOcc 0
5 mol 116 unq 0 iso 0 dist 7.85045 9.53721 6.49383 12.9176 11.1384 9.66069 numMergedOcc 0
6 mol 130 unq 0 iso 0 dist 9.96946 6.91022 6.90634 10.1966 9.37324 6.26422 numMergedOcc 0
7 mol 159 unq 0 iso 0 dist 8.65596 5.20397 8.52082 11.0135 5.48097 9.2256 numMergedOcc 0
8 mol 167 unq 0 iso 0 dist 7.93807 6.77802 7.80054 6.6514 7.33075 9.72291 numMergedOcc 0
9 mol 189 unq 0 iso 0 dist 7.45329 5.79318 9.33695 8.81184 6.41248 7.65477 numMergedOcc 0
10 mol 189 unq 1 iso 0 dist 7.45329 4.88868 6.31466 9.07003 6.37312 4.96433 numMergedOcc 0
11 mol 189 unq 2 iso 0 dist 7.45329 4.88868 6.31466 8.81184 6.41248 8.2926 numMergedOcc 0
12 mol 254 unq 0 iso 0 dist 9.00866 13.4991 8.94909 17.6452 10.7426 9.84153 numMergedOcc 0
13 mol 282 unq 0 iso 0 dist 5.94224 6.63358 6.8972 7.3389 5.61995 7.10557 numMergedOcc 0
14 mol 287 unq 0 iso 0 dist 9.52718 9.81184 5.59555 11.5828 8.32567 8.40198 numMergedOcc 0
15 mol 287 unq 1 iso 0 dist 9.52718 9.81184 5.59555 15.9244 7.04567 9.11967 numMergedOcc 0
16 mol 288 unq 0 iso 0 dist 9.52718 9.81184 5.59555 11.5828 8.32567 8.40198 numMergedOcc 0
17 mol 288 unq 1 iso 0 dist 9.52718 9.81184 5.59555 15.9244 7.04567 9.11967 numMergedOcc 0
18 mol 289 unq 0 iso 0 dist 9.52718 9.81184 5.59555 11.5828 8.32567 8.40198 numMergedOcc 0
19 mol 289 unq 1 iso 0 dist 9.52718 9.81184 5.59555 15.9244 7.04567 9.11967 numMergedOcc 0
